%mem=127800MB
%nproc=24
#p wB97xd/GENecp nosymm opt freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=tetrahydrofuran)

Cluster -- Equilibrium project

0 1
6           0        5.340592   16.365498    0.371963
8           0        5.589208   14.948065    0.176375
6           0        6.855190   14.593321    0.794622
6           0        7.636692   15.885435    1.049339
6           0        6.686462   17.031590    0.668950
1           0        4.863727   16.698073   -0.569115
1           0        4.624602   16.451332    1.204874
1           0        6.614431   14.044507    1.719771
1           0        7.333788   13.913160    0.072789
1           0        7.952818   15.959271    2.113718
1           0        8.569928   15.921585    0.463137
1           0        6.593461   17.781246    1.480914
1           0        7.062737   17.590845   -0.204803
6           0       10.325237   13.996672    3.456016
8           0       10.098258   12.685171    4.039200
6           0       11.197090   12.353919    4.928485
6           0       12.352872   13.318470    4.640363
6           0       11.813782   14.320689    3.606875
1           0        9.990875   13.897256    2.411948
1           0        9.665914   14.701205    3.997725
1           0       10.807543   12.439429    5.955919
1           0       11.426874   11.299935    4.705158
1           0       12.686498   13.828995    5.560873
1           0       13.241691   12.786057    4.259425
1           0       11.977385   15.368388    3.932537
1           0       12.344538   14.219668    2.643301
6           0        4.398767   19.694939    2.641472
8           0        5.743488   19.704302    2.089952
6           0        6.155484   21.061910    1.778841
6           0        4.966111   21.994792    2.018011
6           0        3.885418   21.135587    2.691947
1           0        3.813485   19.040122    1.974088
1           0        4.485986   19.224062    3.635216
1           0        7.018367   21.277025    2.430226
1           0        6.483317   21.027505    0.725513
1           0        5.246889   22.858513    2.646102
1           0        4.597685   22.426177    1.068961
1           0        3.704954   21.461302    3.732912
1           0        2.911934   21.236844    2.179106
6           0        7.419203   17.039698    4.693794
8           0        8.608763   16.549292    4.015779
6           0        9.615566   17.601018    3.962197
6           0        8.995384   18.883796    4.524900
6           0        7.503315   18.566601    4.712973
1           0        6.575763   16.638835    4.111441
1           0        7.425931   16.591250    5.700414
1           0       10.472669   17.226942    4.548295
1           0        9.890505   17.682280    2.896398
1           0        9.465967   19.174379    5.480154
1           0        9.147241   19.734108    3.834035
1           0        7.100490   18.988711    5.647382
1           0        6.905558   19.008615    3.886745
6           0        4.506556   19.620852   -1.092932
8           0        4.205480   18.392476   -1.806834
6           0        5.101873   18.259076   -2.942091
6           0        5.710911   19.635904   -3.224400
6           0        5.304280   20.525648   -2.037738
1           0        3.519549   20.022075   -0.813156
1           0        5.069090   19.338552   -0.183805
1           0        5.854451   17.499439   -2.674694
1           0        4.461879   17.873458   -3.751851
1           0        6.808666   19.576761   -3.330577
1           0        5.343339   20.051856   -4.179107
1           0        6.186573   20.959716   -1.535098
1           0        4.700951   21.386194   -2.376605
6           0       12.779857   18.565804    3.827291
8           0       12.693542   17.326305    4.587772
6           0       14.003034   16.970484    5.110475
6           0       14.936116   18.163508    4.893005
6           0       14.239748   19.026456    3.829535
1           0       12.384842   18.328404    2.823963
1           0       12.101773   19.267743    4.339426
1           0       13.826375   16.720610    6.168086
1           0       14.324551   16.070028    4.559518
1           0       15.086920   18.730959    5.829471
1           0       15.942922   17.845484    4.571487
1           0       14.330352   20.103434    4.053534
1           0       14.706125   18.888878    2.836938
6           0        8.260662   22.770837    4.744445
8           0        9.495181   22.811668    5.507874
6           0        9.430723   23.896302    6.470873
6           0        8.342532   24.868456    6.005255
6           0        7.554998   24.120578    4.916438
1           0        8.586705   22.560842    3.713238
1           0        7.672237   21.926381    5.137982
1           0        9.213081   23.442780    7.451661
1           0       10.447032   24.321293    6.474395
1           0        7.689237   25.173853    6.841936
1           0        8.777762   25.804333    5.612203
1           0        6.496228   23.989544    5.202005
1           0        7.536628   24.692540    3.971681
6           0        9.647664   19.639463    0.803884
8           0       10.679773   19.716360    1.821465
6           0       11.427412   20.956100    1.688491
6           0       10.918634   21.690349    0.446115
6           0        9.624656   20.966407    0.042967
1           0        9.924693   18.773363    0.161420
1           0        8.715728   19.417429    1.348286
1           0       11.257357   21.511252    2.625526
1           0       12.486373   20.655145    1.624607
1           0       10.744092   22.762066    0.645827
1           0       11.663223   21.659642   -0.370701
1           0        8.733126   21.564108    0.310029
1           0        9.567474   20.812229   -1.048708
6           0       11.566319   15.654091   -0.296585
8           0       12.882728   15.405155   -0.856076
6           0       13.127914   16.283574   -1.985657
6           0       11.928474   17.221393   -2.140332
6           0       10.865171   16.706300   -1.158388
1           0       11.063267   14.673165   -0.290861
1           0       11.743979   15.988587    0.739418
1           0       14.070904   16.803906   -1.752010
1           0       13.277260   15.616927   -2.851176
1           0       12.207212   18.266133   -1.915636
1           0       11.551930   17.233616   -3.178931
1           0       10.457461   17.531292   -0.529001
1           0        9.996971   16.281008   -1.692383

-C -H -P -F -S -O -N -Br
6-31G(d)
****



